methyl 4-[(3-cyanopyridin-1-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(3-cyanopyridin-1-ium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(3-cyanopyridin-1-ium-1-yl)methyl]benzoate CAS Name: 4-[(3-cyano-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyanopyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 4-[(3-cyanopyridin-1-ium-1-yl)methyl]benzoic acid methyl ester Formula: C15H13N2O2+ MolecularWeight: 253.27592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H13N2O2/c1-19-15(18)14-6-4-12(5-7-14)10-17-8-2-3-13(9-16)11-17/h2-8,11H,10H2,1H3/q+1